AG000X31

127472-41-7 | 1H-Indazole-3-carboxylic acid, 1-ethyl-

AG000X31

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CAS Number	127472-41-7
Catalog Number	AG000X31(AGN-PC-002JZC)
Chemical Name	1H-Indazole-3-carboxylic acid, 1-ethyl-
IUPAC Name	1-ethylindazole-3-carboxylic acid
InChI	InChI=1S/C10H10N2O2/c1-2-12-8-6-4-3-5-7(8)9(11-12)10(13)14/h3-6H,2H2,1H3,(H,13,14)
InChI Key	SLNCETLOKNMOBN-UHFFFAOYSA-N
MDL Number	MFCD09035085
Molecular Formula	C10H10N2O2
Molecular Weight	190.1986
SMILES	C(C)N1N=C(C2=CC=CC=C12)C(=O)O
Synonyms	1-ethyl-1H-indazole-3-carboxylic acid, 127472-41-7, 1H-Indazole-3-carboxylic acid, 1-ethyl-, SCHEMBL2081436, SLNCETLOKNMOBN-UHFFFAOYSA-N, MFCD09035085, ZINC34364568, AKOS004123328, CS-0061522,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.202g/mol
Monoisotopic Mass	190.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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